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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:47 UTC
Update Date2025-03-21 18:39:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124145
Frequency20.7
Structure
Chemical FormulaC10H8ClNO3S
Molecular Mass256.9913
SMILESNS(=O)(=O)c1cc2c(O)cccc2cc1Cl
InChI KeyLRWGOCWZAIPXFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalene sulfonic acids and derivatives
Direct Parent 2-naphthalene sulfonamides
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-naphthalene sulfonic acids and derivatives
  • aminosulfonyl compounds
  • aryl chlorides
  • chloronaphthalenes
  • hydrocarbon derivatives
  • naphthols and derivatives
  • organic nitrogen compounds
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • organosulfonamides
    • Substituents
  • organosulfonic acid or derivatives
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organosulfur compound
  • organohalogen compound
  • 2-naphthalene sulfonamide
  • organosulfonic acid amide
  • organic oxide
  • aryl chloride
  • aminosulfonyl compound
  • chloronaphthalene
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • aryl halide
  • 2-naphthalene sulfonic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • 1-naphthol
  • organic nitrogen compound
  • organooxygen compound